| SpectraBase Spectrum ID |
Bp6CZZCtF17 |
| Name |
ADB-CHMICA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H29N2O |
| InChI |
InChI=1S/C21H28N2O/c1-21(2,3)15-22-20(24)18-14-23(13-16-9-5-4-6-10-16)19-12-8-7-11-17(18)19/h7-8,11-12,14-16H,4-6,9-10,13H2,1-3H3/p+1/b22-15+ |
| InChIKey |
UGVXMTXKRXNLBM-PXLXIMEGSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)(C)C)C(C1=CN(C2=C1C=CC=C2)CC1CCCCC1)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
